SCHEMBL4172534

SCHEMBL4172534

N=C(NN)C(C(=O)O)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15910253 0.79 CPN1 (0.55) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL28855245 0.77 CPN1 (0.53) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL28196469 0.77 CPN1 (0.53) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL2297536 0.76 CPN1 (0.48) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL4593353 0.69 CPN1 (0.44) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL17765198 0.69 CPN1 (0.38) CPN1CPB2NOS2EPHX1
SCHEMBL188131 0.67 CPN1 (0.52) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL1527375 0.67 CPN1 (0.52) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL1764002 0.67 CPN1 (0.52) CPN1CPB2GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL7130720 0.66 CPN1 (0.50) CPN1CPB2GABRPGABRDGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079756-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF Cara Therapeutics, Inc. (US) 2009-07-22 EP claimed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO claimed
EP-2079756-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF Cara Therapeutics, Inc. (US) 2009-07-22 EP disclosed
EP-2064228-A2 SYNTHETIC PEPTIDE AMIDES Cara Therapeutics, Inc. (US) 2009-06-03 EP disclosed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO disclosed
WO-2008057608-A2 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2008-05-15 WO disclosed